(2S)-2-azaniumyl-5-[[azanyl-[(4-methylphenyl)sulfonylamino]methylidene]amino]pentanoate

Systemtic Name: (2S)-2-azaniumyl-5-[[azanyl-[(4-methylphenyl)sulfonylamino]methylidene]amino]pentanoate Openeye Name: (2S)-5-[[amino-(p-tolylsulfonylamino)methylene]amino]-2-azaniumyl-pentanoate CAS Name: (2S)-5-[[amino-[(4-methylphenyl)sulfonylamino]methylidene]amino]-2-ammoniopentanoate IUPAC Name: (2S)-5-[[amino-[(4-methylphenyl)sulfonylamino]methylidene]amino]-2-azaniumylpentanoate Traditional Name: (2S)-5-[[amino-(tosylamino)methylene]amino]-2-ammonio-valerate Formula: C13H20N4O4S MolecularWeight: 328.3873

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCCC(C(=O)[O-])[NH3+])N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCC[C@@H](C(=O)[O-])[NH3+])N

InChI

InChI=1S/C13H20N4O4S/c1-9-4-6-10(7-5-9)22(20,21)17-13(15)16-8-2-3-11(14)12(18)19/h4-7,11H,2-3,8,14H2,1H3,(H,18,19)(H3,15,16,17)/t11-/m0/s1